Nitrilotriacetic acid

GPTKB entity

Statements (31)
Predicate Object
gptkbp:instanceOf gptkb:chemical_compound
gptkbp:appearance white crystalline solid
gptkbp:CASNumber 139-13-9
gptkbp:category chelating agents
aminopolycarboxylic acids
tricarboxylic acids
gptkbp:chemicalFormula C6H9NO6
gptkbp:EC_number 205-355-7
gptkbp:hasInChIKey InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
gptkbp:hasSMILES C(C(=O)O)N(CC(=O)O)CC(=O)O
gptkbp:hazard_classification gptkb:IARC_Group_2B
https://www.w3.org/2000/01/rdf-schema#label Nitrilotriacetic acid
gptkbp:IUPACName 2,2',2''-nitrilotriacetic acid
gptkbp:meltingPoint 241 °C (decomposes)
gptkbp:molecularWeight 191.14 g/mol
gptkbp:pKa 2.5
1.8
9.7
gptkbp:PubChem_CID 8750
CHEBI:28614
gptkbp:relatedTo gptkb:EDTA
gptkbp:riskFactor possible carcinogen
gptkbp:solubility high
gptkbp:structure contains three carboxylic acid groups and one amine group
gptkbp:UNII 6T8X9TS273
gptkbp:uses laboratory reagent
chelating agent
detergent additive
water softener
gptkbp:bfsParent gptkb:NIT
gptkbp:bfsLayer 5